Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
CC(C)(C)OC(=O)N1CCC2(CCCN2CCCCCN2c3cc(Cl)ccc3Sc3cccnc32)CC1
InChI=1S/C29H39ClN4O2S/c1-28(2,3)36-27(35)32-19-13-29(14-20-32)12-8-17-33(29)16-5-4-6-18-34-23-21-22(30)10-11-24(23)37-25-9-7-15-31-26(25)34/h7,9-11,15,21H,4-6,8,12-14,16-20H2,1-3H3
VYUZXBGMOCSGTA-UHFFFAOYSA-N
543.18